iterations/neb0_image07_iter68_OSZICAR.out output for 44: 750-->752: Si-OH + Si-H , to Si-O-SI + H2 (TSS)
Status:
finished
N E dE d eps ncg rms rms(c)
DAV: 1 0.378695503260E+03 0.37870E+03 -0.14288E+04 624 0.799E+02
DAV: 2 0.441811303451E+01 -0.37428E+03 -0.36096E+03 869 0.196E+02
DAV: 3 -0.964474538199E+02 -0.10087E+03 -0.10054E+03 672 0.117E+02
DAV: 4 -0.100926007932E+03 -0.44786E+01 -0.44681E+01 704 0.284E+01
DAV: 5 -0.101013752384E+03 -0.87744E-01 -0.87707E-01 720 0.358E+00 0.228E+01
DAV: 6 -0.923471180503E+02 0.86666E+01 -0.30678E+01 701 0.303E+01 0.120E+01
DAV: 7 -0.914561581951E+02 0.89096E+00 -0.16777E+00 736 0.615E+00 0.483E+00
DAV: 8 -0.910694742522E+02 0.38668E+00 -0.56681E-01 696 0.410E+00 0.163E+00
DAV: 9 -0.909844533889E+02 0.85021E-01 -0.13320E-01 712 0.157E+00 0.430E-01
DAV: 10 -0.909744341671E+02 0.10019E-01 -0.49466E-02 720 0.114E+00 0.315E-01
DAV: 11 -0.909789417423E+02 -0.45076E-02 -0.13223E-02 613 0.610E-01 0.145E-01
DAV: 12 -0.909819932875E+02 -0.30515E-02 -0.36310E-03 616 0.273E-01 0.148E-01
DAV: 13 -0.909859055180E+02 -0.39122E-02 -0.30620E-03 725 0.338E-01 0.584E-02
DAV: 14 -0.909882614540E+02 -0.23559E-02 -0.53524E-04 664 0.114E-01 0.569E-02
DAV: 15 -0.909911384152E+02 -0.28770E-02 -0.37627E-04 631 0.915E-02 0.336E-02
DAV: 16 -0.909922504495E+02 -0.11120E-02 -0.36028E-04 677 0.944E-02 0.272E-02
DAV: 17 -0.909928375917E+02 -0.58714E-03 -0.91263E-05 653 0.535E-02 0.120E-02
DAV: 18 -0.909930299533E+02 -0.19236E-03 -0.24833E-05 560 0.227E-02 0.657E-03
DAV: 19 -0.909930843625E+02 -0.54409E-04 -0.68206E-06 480 0.153E-02 0.193E-03
DAV: 20 -0.909931330517E+02 -0.48689E-04 -0.60453E-06 420 0.107E-02 0.256E-03
DAV: 21 -0.909931447984E+02 -0.11747E-04 -0.14501E-06 493 0.578E-03 0.196E-03
DAV: 22 -0.909931502742E+02 -0.54757E-05 -0.19013E-06 401 0.873E-03
1 F= -.90993150E+02 E0= -.90998094E+02 d E =0.148312E-01